N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C81H77Cl2F2N15O8 — CID 167701671

IUPACN-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1F
InChIInChI=1S/C21H20FN3O2.2C20H19ClN4O2.C20H19FN4O2/c1-3-21(27)25(2)17-8-9-18(19(22)13-17)14-4-6-15(7-5-14)20(26)12-16-10-11-23-24-16;1-3-20(27)25(2)18-7-5-13(10-16(18)21)17-6-4-14(12-22-17)19(26)11-15-8-9-23-24-15;2*1-3-20(27)25(2)18-7-5-13(10-16(18)21)14-4-6-17(22-12-14)19(26)11-15-8-9-23-24-15/h4-11,13H,3,12H2,1-2H3,(H,23,24);3*4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyYMEWPOOBJNVQCD-UHFFFAOYSA-N
MW1497.51 g/mol
LogP15.27
Rot. Bonds24

About N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167701671) has the molecular formula C81H77Cl2F2N15O8 and a molecular weight of 1497.51 g/mol. Its IUPAC name is N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167701671
Molecular FormulaC81H77Cl2F2N15O8
Molecular Weight1497.51 g/mol
Exact Mass1495.54
IUPAC NameN-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1F
InChIInChI=1S/C21H20FN3O2.2C20H19ClN4O2.C20H19FN4O2/c1-3-21(27)25(2)17-8-9-18(19(22)13-17)14-4-6-15(7-5-14)20(26)12-16-10-11-23-24-16;1-3-20(27)25(2)18-7-5-13(10-16(18)21)17-6-4-14(12-22-17)19(26)11-15-8-9-23-24-15;2*1-3-20(27)25(2)18-7-5-13(10-16(18)21)14-4-6-17(22-12-14)19(26)11-15-8-9-23-24-15/h4-11,13H,3,12H2,1-2H3,(H,23,24);3*4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyYMEWPOOBJNVQCD-UHFFFAOYSA-N
XLogP15.27
TPSA302.91 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms108
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.51
LogP ≤ 515.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167701671) is N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)nc2)cc1F.
What is the InChIKey of N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is YMEWPOOBJNVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2.2C20H19ClN4O2.C20H19FN4O2/c1-3-21(27)25(2)17-8-9-18(19(22)13-17)14-4-6-15(7-5-14)20(26)12-16-10-11-23-24-16;1-3-20(27)25(2)18-7-5-13(10-16(18)21)17-6-4-14(12-22-17)19(26)11-15-8-9-23-24-15;2*1-3-20(27)25(2)18-7-5-13(10-16(18)21)14-4-6-17(22-12-14)19(26)11-15-8-9-23-24-15/h4-11,13H,3,12H2,1-2H3,(H,23,24);3*4-10,12H,3,11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 1497.51 g/mol, XLogP of 15.27, 24 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167701671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).